Hierarchical graphite oxide decorated UiO-66 for ultrahigh adsorption of dye with synergistic effect of ultrasonication: Experimental and density functional theory study

Density-functional thermochemistry. III. The role of exact exchange

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Natural Sciences, Chemistry, Physics +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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Natural Sciences, Chemistry, Physics +17

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

Natural Sciences, Chemistry, Physics +14

Ab initio study of solvated molecules: a new implementation of the polarizable continuum model

Maurizio Cossi, Vincenzo Barone, Roberto Cammi et al. · Chemical Physics Letters · 1996 · 3.4K citations

Natural Sciences, Chemistry, Physics +17

Disclosing the Complex Structure of UiO-66 Metal Organic Framework: A Synergic Combination of Experiment and Theory

Loredana Valenzano, Bartolomeo Civalleri, Sachin Chavan et al. · Chemistry of Materials · 2011 · 1.9K citations · Full text

Natural Sciences, Chemistry, Materials Science +17